Acetonitrile

Acetonitrile

SCHEMBL8290901

CC#N.CC(OC1CCCCO1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 14/20 0.47
SLC6A2 P23975 5/20 0.37
SLC6A4 P31645 5/20 0.37
PTGER4 P35408 1/20 0.36
LMNA P02545 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8120273 0.84 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4PTGER4LMNA
SCHEMBL4631275 0.84 SLC6A3 (0.50) SLC6A3SLC6A2SLC6A4LMNA
SCHEMBL8125695 0.77 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4PTGER4
SCHEMBL8563823 0.76 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4
SCHEMBL8562592 0.76 SLC6A3 (0.48) SLC6A3SLC6A2SLC6A4
SCHEMBL9318198 0.75 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4
SCHEMBL8558548 0.74 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4
SCHEMBL5891959 0.74 POLB (0.38) SLC6A3PTGER4
SCHEMBL4630703 0.74 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4
SCHEMBL13686149 0.74 SLC6A3 (0.46) SLC6A3SLC6A2PTGER4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0512901-B1 Aminated polycyclic compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1999-06-23 EP disclosed
EP-0512901-A1 Aminated polycyclic compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-11-11 EP disclosed